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SMILES: Cc1cc(C)n(n1)C1CCCC1OC(=O)N[C@H](CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 528326   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM528326
PNG
(US11180494, Example 155B)
Show SMILES Cc1cc(C)n(n1)C1CCCC1OC(=O)N[C@H](CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)C(O)=O |r,w:11.13,5.7,wU:22.24,wD:16.17,20.21,(-12.37,.63,;-11.6,1.96,;-12.08,3.43,;-10.83,4.33,;-10.83,5.87,;-9.59,3.43,;-10.06,1.96,;-8.1,3.82,;-7.62,5.29,;-6.08,5.29,;-5.61,3.82,;-6.85,2.92,;-6.85,1.38,;-5.52,.61,;-4.19,1.38,;-5.52,-.93,;-4.19,-1.7,;-2.85,-.93,;-1.52,-1.7,;-.18,-.93,;1.15,-1.7,;1.55,-3.19,;3.04,-2.79,;4.37,-3.56,;5.7,-2.79,;7.04,-3.56,;7.04,-5.1,;8.37,-5.87,;9.7,-5.1,;11.04,-5.87,;12.37,-5.1,;12.37,-3.56,;11.04,-2.79,;9.7,-3.56,;8.37,-2.79,;2.64,-1.3,;-4.19,-3.24,;-2.85,-4.01,;-5.52,-4.01,)|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a


TBA

Assay Description
The biochemical potency of compounds was determined using a proximity-based assay (ALPHASCREENŽ, Perkin Elmer, Waltham, Mass.) as described previousl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RC5
More data for this
Ligand-Target Pair